PDB ligand accession: NV9
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: VSOZJTYJJHNDPD-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2ccncc2NC(=O)Cc3cccc(c3)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GET | Download | Experimental | e7getA1 e7getA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |